CHEBI:101450 - (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:101450
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H35N5O3S
Net Charge 0
Average Mass 569.719
Monoisotopic Mass 569.24606
InChI InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-20-27(31(39)35-17-9-22-7-13-33-14-8-22)36-30(29(26)28(37)12-18-38)25-6-4-5-24(19-25)23-10-15-34-16-11-23/h4-8,10-11,13-16,19-20,28,38H,9,12,17-18,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1
InChIKey UNXBJJPJSXSVQI-GIEABIOQSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCCC5=CC=NC=C5
ChEBI Ontology
Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101450) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12813 LINCS
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